Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 1/20 | 0.49 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | ABCG2 | Q9UNQ0 | 3/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | PGR | P06401 | 2/20 | 0.43 |
| ▸ | KCNJ1 | P48048 | 1/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.43 |
| ▸ | VCAM1 | P19320 | 2/20 | 0.42 |
| ▸ | ACHE | P22303 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 1/20 | 0.41 |
| ▸ | FBP1 | P09467 | 1/20 | 0.40 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.40 |
| ▸ | RAD51 | Q06609 | 1/20 | 0.40 |
| ▸ | AR | P10275 | 1/20 | 0.40 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL7112567 | 0.84 | ALDH1A1 (0.50) | AKR1C3AKR1C2ALDH1A1TDP1TSHR | |
| SCHEMBL28254988 | 0.83 | VCAM1 (0.50) | ALDH1A1TDP1ABCG2PGRKCNJ1 | |
| SCHEMBL2650078 | 0.81 | NPC1 (0.45) | AKR1C3AKR1C2ALDH1A1TSHRABCG2 | |
| SCHEMBL6435365 | 0.81 | TSHR (0.53) | ALDH1A1TDP1TSHRABCG2PGR | |
| SCHEMBL3842071 | 0.80 | HTT (0.48) | AKR1C3AKR1C2ALDH1A1TDP1ABCG2 | |
| SCHEMBL8094564 | 0.80 | ALDH1A1 (0.53) | ALDH1A1TDP1TSHRCYP3A4PGR | |
| SCHEMBL28203175 | 0.79 | IKBKB (0.46) | ALDH1A1TSHRABCG2PGRFBP1 | |
| SCHEMBL7112609 | 0.79 | PTGS2 (0.59) | AKR1C3AKR1C2ALDH1A1TDP1TSHR | |
| SCHEMBL14850862 | 0.77 | CLK4 (0.46) | ALDH1A1TSHRCYP3A4PGRMAOB | |
| SCHEMBL29913891 | 0.77 | VCAM1 (0.64) | ALDH1A1TDP1TSHRKCNJ1KCNH2 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1047665-B1 | MATRIX METALLOPROTEASE INHIBITORS | PFIZER LTD (GB) | 2003-10-22 | — | — | EP | disclosed |
| US-6350907-B1 | PEPTIDE ENZYME INHIBITORS | PFIZER INC | 2002-02-26 | — | — | US | disclosed |
| EP-1047665-A1 | MATRIX METALLOPROTEASE INHIBITORS | Pfizer Limited (GB) | 2000-11-02 | — | — | EP | disclosed |
| WO-1999035124-A1 | MATRIX METALLOPROTEASE INHIBITORS | PFIZER LIMITED (GB) | 1999-07-15 | — | — | WO | disclosed |